1-(2-Morpholinoethyl)pyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C15H26N3O3B
Molecular Weight
307.20
Description
1-(2-Morpholinoethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 864754-18-7) is a useful research chemical.
Synonyms
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]ethyl]morpholine; 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
IUPAC Name
4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]morpholine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CCN3CCOCC3
InChI
InChI=1S/C15H26BN3O3/c1-14(2)15(3,4)22-16(21-14)13-11-17-19(12-13)6-5-18-7-9-20-10-8-18/h11-12H,5-10H2,1-4H3
InChI Key
FBAPTUAEBQMVEY-UHFFFAOYSA-N
Boiling Point
440.6 °C at 760 mmHg
Melting Point
89-94 °C
Flash Point
Not applicable
Purity
97 %
Density
1.15 g/cm3
LogP
0.45240
Safety Information
Hazards
H315 - H319
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
307.2067219 g/mol
Monoisotopic Mass
307.2067219 g/mol
Topological Polar Surface Area
48.8Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
372
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021222522-A1 | Cd73 inhibiting 2,4-dioxopyrimidine compounds | 2020-05-01 |
| US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 2020-01-15 |
| US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| WO-2021076602-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| TW-202128685-A | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| US-2021094935-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-01 |
| WO-2021067374-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-01 |
